N-({5-[(2-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-2-oxoethyl)sulfanyl]-1,3,4-oxadiazol-2-yl}methyl)-3,4,5-trimethoxybenzamide
Chemical Structure Depiction of
N-({5-[(2-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-2-oxoethyl)sulfanyl]-1,3,4-oxadiazol-2-yl}methyl)-3,4,5-trimethoxybenzamide
N-({5-[(2-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-2-oxoethyl)sulfanyl]-1,3,4-oxadiazol-2-yl}methyl)-3,4,5-trimethoxybenzamide
Compound characteristics
| Compound ID: | C328-0125 |
| Compound Name: | N-({5-[(2-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-2-oxoethyl)sulfanyl]-1,3,4-oxadiazol-2-yl}methyl)-3,4,5-trimethoxybenzamide |
| Molecular Weight: | 516.53 |
| Molecular Formula: | C23 H24 N4 O8 S |
| Smiles: | COc1cc(cc(c1OC)OC)C(NCc1nnc(o1)SCC(NCc1ccc2c(c1)OCO2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.5206 |
| logD: | 1.5206 |
| logSw: | -2.4702 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 118.979 |
| InChI Key: | YMALIBYLFAZASS-UHFFFAOYSA-N |